Benchmark calculations of reaction energies, barrier heights, and transition-state geometries for hydrogen abstraction from methanol by a hydrogen atom

Chemical Compounds

• Energy Barrier 93%
• Hydrogen Atom 85%
• Transition State 80%
• Density Functional Theory 60%
• Methanol 59%
• CCSD 53%
• Hydrogen 49%
• Electronic State 35%
• Composite Material 24%
• Energy 23%

Physics & Astronomy

• methyl alcohol 100%
• hydrogen atoms 92%
• hydrogen 60%
• geometry 54%
• methylidyne 32%
• energy 28%
• density functional theory 25%
• correlation coefficients 17%
• reaction kinetics 14%
• vapor phases 13%
• costs 12%
• electronic structure 12%
• composite materials 9%